Synonyms: tetraphenylphosphonium
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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0
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Hydrogen bond donors
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0
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Rotatable bonds
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4
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Topological polar surface area
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0
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Molecular weight
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339.13
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XLogP
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7.92
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No. Lipinski's rules broken
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1
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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SMILES / InChI / InChIKey
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Canonical SMILES
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c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
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Isomeric SMILES
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c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
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InChI
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InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
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InChI Key
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USFPINLPPFWTJW-UHFFFAOYSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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